SCHEMBL981965

SCHEMBL981965

CCCCCCCCCC(c1[c]cccc1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KCNH2 Q12809 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
NR1I2 O75469 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.31
RGS12 O14924 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL983094 1.00 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL982762 1.00 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL982130 1.00 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL981534 0.98 PRSS1 (0.33) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL983120 0.93 POLB (0.33) ALDH1A1CNR2LMNATAAR1
SCHEMBL983842 0.89 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL982791 0.88 PRSS1 (0.37) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL981960 0.88 PRSS1 (0.34) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL983085 0.88 PRSS1 (0.34) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL985274 0.88 PRSS1 (0.34) PRSS1PRSS2PRSS3CSNK1EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH PRSS1 2230/4885PRSS2 1415/4885PRSS3 2587/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.